3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one

C10H13F3N4O — CID 115656960

IUPAC3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-16-3-5-17(6-4-16)8-9(18)15-2-1-14-8/h1-2H,3-7H2,(H,15,18)
InChIKeyYXZWCJRGFGDKCI-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.45
Rot. Bonds2

About 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one

3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one (PubChem CID 115656960) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one
PubChem CID115656960
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-16-3-5-17(6-4-16)8-9(18)15-2-1-14-8/h1-2H,3-7H2,(H,15,18)
InChIKeyYXZWCJRGFGDKCI-UHFFFAOYSA-N
XLogP0.45
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one (CID 115656960) is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one is O=c1[nH]ccnc1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one?
The InChIKey is YXZWCJRGFGDKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)7-16-3-5-17(6-4-16)8-9(18)15-2-1-14-8/h1-2H,3-7H2,(H,15,18).
What are the key properties of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one?
3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one has a molecular weight of 262.23 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 115656960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).